N-[(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(2S,3S,4S,5S,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-5-hydroxy-4-methoxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide

C41H70N2O25 — CID 91856217

About N-[(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(2S,3S,4S,5S,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-5-hydroxy-4-methoxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide

N-[(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(2S,3S,4S,5S,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-5-hydroxy-4-methoxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide (PubChem CID 91856217) has the molecular formula C41H70N2O25 and a molecular weight of 991.00 g/mol. Its IUPAC name is N-[(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(2S,3S,4S,5S,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-5-hydroxy-4-methoxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(2S,3S,4S,5S,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-5-hydroxy-4-methoxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide
• PubChem CID: 91856217
• Molecular Formula: C41H70N2O25
• Molecular Weight: 991.00 g/mol
• Exact Mass: 990.43
• IUPAC Name: N-[(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(2S,3S,4S,5S,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-5-hydroxy-4-methoxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide
• SMILES: CO[C@H]1[C@H](O)[C@@H](C)O[C@H](O[C@H]2[C@H](O)[C@@H](C)O[C@H](O[C@@H]3[C@@H](O[C@H]4[C@@H](O)[C@H](O)[C@@H](C)O[C@@H]4O)O[C@H](C)[C@@H](O)[C@@H]3O)[C@H]2O[C@H]2O[C@H](C)[C@H](O)[C@H](NC(C)=O)[C@H]2O)[C@H]1O[C@H]1O[C@H](C)[C@H](O)[C@H](NC(C)=O)[C@H]1O
• InChI: InChI=1S/C41H70N2O25/c1-10-20(46)18(42-16(7)44)26(52)37(59-10)67-34-30(57-9)24(50)14(5)62-40(34)64-31-25(51)15(6)63-41(35(31)68-38-27(53)19(43-17(8)45)21(47)11(2)60-38)66-33-29(55)23(49)13(4)61-39(33)65-32-28(54)22(48)12(3)58-36(32)56/h10-15,18-41,46-56H,1-9H3,(H,42,44)(H,43,45)/t10-,11-,12-,13-,14-,15-,18+,19+,20+,21+,22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37-,38-,39-,40-,41-/m1/s1
• InChIKey: GRCDPXJYKMAAJS-IWERNKICSA-N
• XLogP: -6.99
• TPSA: 391.49 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 25
• Rotatable Bonds: 13
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	991.00
LogP ≤ 5	-6.99
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(2S,3S,4S,5S,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-5-hydroxy-4-methoxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide?

The IUPAC name of N-[(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(2S,3S,4S,5S,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-5-hydroxy-4-methoxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide (CID 91856217) is N-[(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(2S,3S,4S,5S,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-5-hydroxy-4-methoxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide.

What is the SMILES notation for N-[(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(2S,3S,4S,5S,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-5-hydroxy-4-methoxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide?

The canonical SMILES for N-[(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(2S,3S,4S,5S,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-5-hydroxy-4-methoxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide is CO[C@H]1[C@H](O)[C@@H](C)O[C@H](O[C@H]2[C@H](O)[C@@H](C)O[C@H](O[C@@H]3[C@@H](O[C@H]4[C@@H](O)[C@H](O)[C@@H](C)O[C@@H]4O)O[C@H](C)[C@@H](O)[C@@H]3O)[C@H]2O[C@H]2O[C@H](C)[C@H](O)[C@H](NC(C)=O)[C@H]2O)[C@H]1O[C@H]1O[C@H](C)[C@H](O)[C@H](NC(C)=O)[C@H]1O.

What is the InChIKey of N-[(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(2S,3S,4S,5S,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-5-hydroxy-4-methoxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide?

The InChIKey is GRCDPXJYKMAAJS-IWERNKICSA-N. The full InChI is InChI=1S/C41H70N2O25/c1-10-20(46)18(42-16(7)44)26(52)37(59-10)67-34-30(57-9)24(50)14(5)62-40(34)64-31-25(51)15(6)63-41(35(31)68-38-27(53)19(43-17(8)45)21(47)11(2)60-38)66-33-29(55)23(49)13(4)61-39(33)65-32-28(54)22(48)12(3)58-36(32)56/h10-15,18-41,46-56H,1-9H3,(H,42,44)(H,43,45)/t10-,11-,12-,13-,14-,15-,18+,19+,20+,21+,22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37-,38-,39-,40-,41-/m1/s1.

What are the key properties of N-[(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(2S,3S,4S,5S,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-5-hydroxy-4-methoxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide?

N-[(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(2S,3S,4S,5S,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-5-hydroxy-4-methoxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide has a molecular weight of 991.00 g/mol, XLogP of -6.99, 13 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(2S,3S,4S,5S,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-5-hydroxy-4-methoxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide is sourced from PubChem (CID 91856217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).